glucoberteroin

Molecular Formula: C₁₃H₂₄NO₉S₃^-

InChI: InChI=1/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/p-1/t8-,10-,11+,12-,13+/m1/s1/fC13H24NO9S3/q-1

InChIKey: InChIKey=MEFPHTVXBPLRLX-YRYKKZRZDE
SMILES: CSCCCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

Names:
    C08401
    Glucoberteroin
    glucoberteroin
    Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate)NO-(hydrogen sulfate), beta-D-
    Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate)
    Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D-
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-(5-methylsulfanylpentyl)-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    29611-01-6

Registries:
    PubChem CID 656524
    ChEBI 5396
    Kegg C08401
    PubChem ID 10597